4-azanyl-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid

Systemtic Name: 4-azanyl-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Openeye Name: 4-amino-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid CAS Name: 4-amino-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 4-amino-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Traditional Name: 4-amino-1-(2-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid Formula: C17H11ClF3N3O2 MolecularWeight: 381.73635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C(=C(C(=N2)C(=O)O)N)C3=CC=C(C=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)N2C(=C(C(=N2)C(=O)O)N)C3=CC=C(C=C3)C(F)(F)F)Cl

InChI

InChI=1S/C17H11ClF3N3O2/c18-11-3-1-2-4-12(11)24-15(13(22)14(23-24)16(25)26)9-5-7-10(8-6-9)17(19,20)21/h1-8H,22H2,(H,25,26)